File name: Pandora21s1_Bremen_20230428_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T140807.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v1d20201116.txt Level 1 file used: Pandora21s1_Bremen_20230428_L1_smca1c1d20201116p1-8.txt Full location name: Bremen University Short location name: Bremen Country of location: Germany Location latitude [deg]: 53.0813 Location longitude [deg]: 8.8126 Location altitude [m]: 50 Local noon date: 20230428 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 286 428 Nominal wavelengths inside fitting window [nm]: 305.0633 305.2039 305.3445 305.4851 305.6257 305.7662 305.9068 306.0473 306.1878 306.3283 306.4688 306.6093 306.7497 306.8902 307.0306 307.1711 307.3115 307.4519 307.5923 307.7326 307.8730 308.0134 308.1537 308.2940 308.4343 308.5747 308.7149 308.8552 308.9955 309.1357 309.2760 309.4162 309.5564 309.6966 309.8368 309.9770 310.1172 310.2573 310.3975 310.5376 310.6777 310.8178 310.9579 311.0980 311.2380 311.3781 311.5181 311.6582 311.7982 311.9382 312.0782 312.2182 312.3581 312.4981 312.6380 312.7779 312.9179 313.0578 313.1976 313.3375 313.4774 313.6172 313.7571 313.8969 314.0367 314.1765 314.3163 314.4561 314.5959 314.7356 314.8754 315.0151 315.1548 315.2945 315.4342 315.5739 315.7135 315.8532 315.9928 316.1325 316.2721 316.4117 316.5513 316.6908 316.8304 316.9700 317.1095 317.2490 317.3885 317.5280 317.6675 317.8070 317.9465 318.0859 318.2254 318.3648 318.5042 318.6436 318.7830 318.9224 319.0617 319.2011 319.3404 319.4798 319.6191 319.7584 319.8977 320.0369 320.1762 320.3155 320.4547 320.5939 320.7331 320.8723 321.0115 321.1507 321.2899 321.4290 321.5682 321.7073 321.8464 321.9855 322.1246 322.2637 322.4028 322.5418 322.6808 322.8199 322.9589 323.0979 323.2369 323.3759 323.5148 323.6538 323.7927 323.9317 324.0706 324.2095 324.3484 324.4872 324.6261 324.7650 324.9038 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20230428T062202.2Z 8518.265304 216 1 9.48 2 69.84 93.27 105.45 4.23 0.00 1 0.00 1 0 25 5.123e-02 6.093e-03 3.284e-02 2.897e-03 4.433037e-01 1.523405e-03 5.793601e-03 -6.000000e+00 3.079997e-02 229.10 -2.00 3.88 -2.00 319.03 0.00e+00 6.900787e-04 3.299952e-04 2.038909e-04 -6.000000e+00 1.228834e-03 273.87 -2.00 20.00 -2.00 318.74 0.00e+00 2.872 0.000 302.00 328.00 3 3.3439e+00 4.1472e-03 3.8553e-02 -6.0000e+00 7.7298e-02 1.5169e-02 4.7110e-03 2.5521e-02 -6.0000e+00 8.3798e-02 -9.4296e-03 3.7033e-03 1.2934e-02 -6.0000e+00 4.9214e-02 -3.0309e-03 1.9942e-03 3.8286e-03 -6.0000e+00 2.0463e-02 6.1471e-04 -6.4936e-04 8.9001e-05 4.5866e-05 -6.0000e+00 1.5376e-03 -3.2427e-02 8.3293e-05 12 1 1 12 1 1 98.43 22.20 0.23 -0.03243 -0.03731 16 18 1 5 0 546.800 25.28 20.00 22.20 14.44 31.8 1019.32 -18848 -2560 -16788 -6302 -16899 -11390 3560 -19273 10109 -18780 6724 -28958 10316 -11182 -10919 -3660 -5121 857 -497 8471 -5269 5486 -4338 5729 -2925 1546 289 -1564 1032 -3035 4038 135 4417 -4833 -1167 -3916 -1465 2299 -1199 -701 -2279 1677 -834 -1225 -719 393 -1860 -908 427 510 2874 205 986 -685 824 147 612 758 283 1417 620 2230 675 1448 34 631 204 871 1382 1021 219 -741 -187 -523 493 -118 148 186 84 444 -781 -614 -1548 -993 -1797 -366 -708 -519 -411 -260 458 974 895 1179 1212 619 1186 -125 72 -483 54 -390 -161 145 -728 -844 -775 -191 48 -88 -242 -189 -244 111 211 458 757 364 46 -683 -735 -104 -164 107 -77 423 555 1363 558 507 251 11 309 179 317 -134 -94 -9 -336 -440 -74 -371 11 -465 -62 -502 -168 -467 -302 85 -613 286 -729 212 -1395 387 -594 -693 -250 -394 67 -42 689 -509 483 -433 550 -329 176 34 -183 114 -350 469 18 617 -793 -183 -622 -241 419 -273 -180 -674 515 -275 -417 -246 134 -652 -316 148 182 1069 82 423 -321 401 72 305 381 141 718 309 1162 392 877 22 397 128 535 853 705 163 -593 -151 -412 360 -82 97 117 54 309 -607 -518 -1446 -950 -1841 -382 -784 -597 -462 -296 489 993 881 1122 1159 658 1368 -153 97 -649 71 -481 -189 172 -881 -1056 -1021 -256 69 -130 -379 -302 -393 178 325 662 1095 539 69 -1070 -1188 -167 -255 165 -114 615 773 1914 805 776 405 18 533 313 584 -255 -180 -18 -671 -869 -141 -691 20 SS 20230428T071831.2Z 8518.304527 247 1 2.55 2 61.47 105.19 104.06 17.20 0.00 1 0.00 1 0 25 3.296e-02 9.244e-03 2.813e-02 7.643e-03 3.259947e-01 4.019609e-03 4.301252e-03 -6.000000e+00 1.982619e-02 229.10 -2.00 3.88 -2.00 317.36 0.00e+00 6.407706e-05 5.396863e-04 8.574207e-05 -6.000000e+00 7.908854e-04 273.88 -2.00 20.00 -2.00 317.06 0.00e+00 2.084 0.000 302.00 328.00 3 4.3899e+00 1.0614e-02 2.8014e-02 -6.0000e+00 4.9758e-02 1.5659e-02 1.1815e-02 1.8488e-02 -6.0000e+00 5.3936e-02 1.9045e-03 7.3119e-03 9.1789e-03 -6.0000e+00 3.1677e-02 -4.8744e-03 3.6563e-03 2.6275e-03 -6.0000e+00 1.3175e-02 5.3901e-04 2.1848e-04 2.3409e-04 3.2114e-05 -6.0000e+00 9.8941e-04 -3.3868e-02 1.1690e-04 12 9 1 12 1 1 999.00 22.23 0.15 -0.03387 -0.03223 1 8 1 5 0 1183.994 25.28 20.00 22.23 16.60 32.1 1028.53 -7118 3364 -12698 10179 -13322 1827 -7808 6227 -4001 13725 -7298 -7259 14973 -8399 7138 -5617 1656 -773 -926 -1184 -2426 3550 1080 4053 -801 -952 -796 -3841 593 2756 2577 13 3310 289 -293 -861 1721 -1611 1466 300 -896 -1543 -762 -1029 -687 637 -568 -765 -306 -670 783 1258 1565 -481 608 -504 1274 92 930 291 2712 948 1377 1174 -908 -121 -968 1149 406 1279 232 1062 -2351 -276 945 343 -1172 512 1037 -462 207 -2947 -2055 -1608 -1404 -729 -109 753 284 -671 495 570 1270 1477 2676 -173 627 -422 140 -1123 573 -647 702 144 207 -1014 -1362 -251 13 88 -379 -621 -1043 -26 373 465 780 -253 691 -603 -15 -713 289 145 630 341 324 615 484 872 452 437 -317 1002 1057 -335 30 -182 -91 -739 308 -632 -960 -621 297 -1354 863 -1300 149 -717 556 -434 1356 -893 -921 1714 -1350 1141 -1111 329 -164 -206 -273 -580 814 257 984 -214 -265 -223 -1076 154 691 674 4 998 93 -93 -271 554 -596 608 142 -467 -848 -429 -589 -393 362 -325 -433 -172 -381 455 767 999 -324 420 -359 910 66 663 207 1921 707 1082 970 -776 -101 -777 890 324 1086 212 1002 -2289 -261 855 294 -953 396 808 -387 187 -2911 -2128 -1724 -1559 -840 -129 913 348 -817 579 634 1339 1512 2765 -192 739 -533 185 -1511 747 -813 840 171 254 -1306 -1812 -342 19 128 -572 -960 -1609 -39 534 641 1053 -347 973 -887 -22 -1073 428 211 890 470 434 814 655 1231 664 658 -488 1561 1693 -558 50 -313 -159 -1281 521 -1051 -1571 SS 20230428T072308.1Z 8518.307732 250 1 2.30 2 60.80 106.21 103.87 18.24 0.00 1 0.00 1 0 25 1.666e-02 6.575e-03 1.038e-02 3.303e-03 3.200848e-01 1.740308e-03 4.273830e-03 -6.000000e+00 1.002012e-02 229.10 -2.00 3.88 -2.00 317.10 0.00e+00 2.843384e-04 2.183177e-04 7.520868e-05 -6.000000e+00 3.997084e-04 273.88 -2.00 20.00 -2.00 316.80 0.00e+00 2.041 0.000 302.00 328.00 3 3.2158e+00 4.5788e-03 2.7516e-02 -6.0000e+00 2.5148e-02 2.0315e-02 5.0913e-03 1.8231e-02 -6.0000e+00 2.7259e-02 -1.2514e-02 3.0827e-03 9.0440e-03 -6.0000e+00 1.6009e-02 2.3809e-03 1.5128e-03 2.5794e-03 -6.0000e+00 6.6586e-03 1.8368e-03 -4.0566e-06 1.0092e-04 3.2503e-05 -6.0000e+00 5.0003e-04 -3.3746e-02 1.2980e-04 12 9 1 12 1 1 9.11 22.23 0.19 -0.03375 -0.03378 5 28 1 5 0 352.982 25.28 20.00 22.23 16.55 32.1 1028.79 -6890 2191 -11400 -108 -2925 2798 -2542 -2002 1850 1841 2811 -5049 2767 -3526 429 -3617 1254 2531 -295 3262 780 784 -745 2390 -2069 15 -445 -101 1039 -440 1269 721 1261 -1323 681 -464 -602 -681 -376 -298 -2104 180 -1816 106 -1860 552 -1732 -285 282 817 516 225 920 114 1632 242 1111 362 480 1058 1387 1306 535 1310 -229 690 -328 795 702 590 -195 -456 89 -644 30 -102 794 37 383 -138 -872 -955 -1475 -1329 -1205 -501 -988 105 -340 -93 285 90 732 1442 1305 81 948 134 -592 -778 -491 -790 -239 729 -465 -337 -746 -120 -444 454 -42 -182 -234 -17 550 495 830 493 545 -412 -460 -547 -300 -76 -12 360 718 1162 556 909 113 116 360 353 118 -162 179 45 -408 -416 -170 -623 -297 -728 237 -1448 -12 -314 272 -267 -230 226 239 371 -737 413 -630 84 -807 286 597 -74 822 205 208 -203 661 -623 5 -138 -31 299 -126 372 228 425 -473 236 -159 -216 -270 -170 -151 -1170 103 -1084 63 -1131 331 -1050 -170 166 482 315 144 614 79 1159 177 819 269 354 773 1023 1000 434 1105 -199 583 -269 632 571 512 -181 -439 87 -619 28 -90 651 30 306 -117 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